[5,7-bis(bromanyl)quinolin-8-yl] 2,4,5-trimethylbenzenesulfonate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2,4,5-trimethylbenzenesulfonate Openeye Name: (5,7-dibromo-8-quinolyl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (5,7-dibromo-8-quinolyl) ester Formula: C18H15Br2NO3S MolecularWeight: 485.1896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)C

InChI

InChI=1S/C18H15Br2NO3S/c1-10-7-12(3)16(8-11(10)2)25(22,23)24-18-15(20)9-14(19)13-5-4-6-21-17(13)18/h4-9H,1-3H3